(5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one

C24H33N7O — CID 163893535

IUPAC(5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one
SMILESC/C1=C\c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2CC(CC(C)C)CNC1=O
InChIInChI=1S/C24H33N7O/c1-16(2)10-18-12-21-19(11-17(3)23(32)27-13-18)14-28-24(29-21)30-22-5-4-20(15-26-22)31-8-6-25-7-9-31/h4-5,11,14-16,18,25H,6-10,12-13H2,1-3H3,(H,27,32)(H,26,28,29,30)/b17-11+
InChIKeyQDPTXMGIRNUPAQ-GZTJUZNOSA-N
MW435.58 g/mol
LogP2.76
Rot. Bonds5

About (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one

(5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one (PubChem CID 163893535) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one.

Molecular Properties

Compound Name(5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one
PubChem CID163893535
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name(5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one
SMILESC/C1=C\c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2CC(CC(C)C)CNC1=O
InChIInChI=1S/C24H33N7O/c1-16(2)10-18-12-21-19(11-17(3)23(32)27-13-18)14-28-24(29-21)30-22-5-4-20(15-26-22)31-8-6-25-7-9-31/h4-5,11,14-16,18,25H,6-10,12-13H2,1-3H3,(H,27,32)(H,26,28,29,30)/b17-11+
InChIKeyQDPTXMGIRNUPAQ-GZTJUZNOSA-N
XLogP2.76
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one?
The IUPAC name of (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one (CID 163893535) is (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one.
What is the SMILES notation for (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one?
The canonical SMILES for (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one is C/C1=C\c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2CC(CC(C)C)CNC1=O.
What is the InChIKey of (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one?
The InChIKey is QDPTXMGIRNUPAQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C24H33N7O/c1-16(2)10-18-12-21-19(11-17(3)23(32)27-13-18)14-28-24(29-21)30-22-5-4-20(15-26-22)31-8-6-25-7-9-31/h4-5,11,14-16,18,25H,6-10,12-13H2,1-3H3,(H,27,32)(H,26,28,29,30)/b17-11+.
What are the key properties of (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one?
(5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one has a molecular weight of 435.58 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-methyl-10-(2-methylpropyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8,9,10,11-tetrahydropyrimido[4,5-e]azonin-7-one is sourced from PubChem (CID 163893535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).